N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine

C20H27N — CID 64680088

IUPACN-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
SMILESCCc1ccccc1CNC(C)CCc1cccc(C)c1
InChIInChI=1S/C20H27N/c1-4-19-10-5-6-11-20(19)15-21-17(3)12-13-18-9-7-8-16(2)14-18/h5-11,14,17,21H,4,12-13,15H2,1-3H3
InChIKeySMKUCPOYKMQZKT-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.67
Rot. Bonds7

About N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine

N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine (PubChem CID 64680088) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
PubChem CID64680088
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
SMILESCCc1ccccc1CNC(C)CCc1cccc(C)c1
InChIInChI=1S/C20H27N/c1-4-19-10-5-6-11-20(19)15-21-17(3)12-13-18-9-7-8-16(2)14-18/h5-11,14,17,21H,4,12-13,15H2,1-3H3
InChIKeySMKUCPOYKMQZKT-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine
CID 61171888
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine
CID 60657519
2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine
CID 61169167
4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
CID 61169939
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010
N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine
CID 115711448
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 103275194
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine (CID 64680088) is N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine is CCc1ccccc1CNC(C)CCc1cccc(C)c1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine?
The InChIKey is SMKUCPOYKMQZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-19-10-5-6-11-20(19)15-21-17(3)12-13-18-9-7-8-16(2)14-18/h5-11,14,17,21H,4,12-13,15H2,1-3H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine?
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 64680088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).